N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide

C13H9FN4O3 — CID 830822

IUPACN-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1F)c1cccnc1
InChIInChI=1S/C13H9FN4O3/c14-12-4-3-11(18(20)21)6-10(12)8-16-17-13(19)9-2-1-5-15-7-9/h1-8H,(H,17,19)
InChIKeyUWJSLSGMRKHQNW-UHFFFAOYSA-N
MW288.24 g/mol
LogP1.89
Rot. Bonds4

About N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide

N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 830822) has the molecular formula C13H9FN4O3 and a molecular weight of 288.24 g/mol. Its IUPAC name is N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID830822
Molecular FormulaC13H9FN4O3
Molecular Weight288.24 g/mol
Exact Mass288.07
IUPAC NameN-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1F)c1cccnc1
InChIInChI=1S/C13H9FN4O3/c14-12-4-3-11(18(20)21)6-10(12)8-16-17-13(19)9-2-1-5-15-7-9/h1-8H,(H,17,19)
InChIKeyUWJSLSGMRKHQNW-UHFFFAOYSA-N
XLogP1.89
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
CID 5401153
N-[(5-nitro-2-pyrrolidin-1-ylphenyl)methylideneamino]pyridine-3-carboxamide
CID 3478213
N-[(2-hydroxy-3-methyl-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3328921
N-[(E)-[2-[butyl(ethyl)amino]-5-nitrophenyl]methylideneamino]pyridine-3-carboxamide
CID 46501939
N-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridine-3-carboxamide
CID 5414471
N-[(5-bromo-2-hydroxy-3-nitrophenyl)methylideneamino]pyridine-3-carboxamide
CID 3503714
N-[3-(3-nitrophenyl)prop-2-enylideneamino]pyridine-3-carboxamide
CID 4616774
2-[(E)-[(5-bromopyridine-3-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 6887735
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-4-fluorobenzamide
CID 9016544
[4-[[(3-nitrobenzoyl)hydrazinylidene]methyl]phenyl] pyridine-3-carboxylate
CID 2326727
N-[[3-[(pyridine-3-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-3-carboxamide
CID 1379516
2-[(E)-[(3-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 135582503

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide (CID 830822) is N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1F)c1cccnc1.
What is the InChIKey of N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is UWJSLSGMRKHQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4O3/c14-12-4-3-11(18(20)21)6-10(12)8-16-17-13(19)9-2-1-5-15-7-9/h1-8H,(H,17,19).
What are the key properties of N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 288.24 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 830822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).